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Basic information
- CAS
53732-61-9- Standard SMILES
O=C(Cl)c1ccccc1Sc1ccccc1- InChIKey
JGJQEYFJHPOGJH-UHFFFAOYSA-N- Molecular formula
- C13H9ClOS
- Average molar mass
- 248.73 g/mol
- Monoisotopic mass
- 248.00626359
Names & identifiers
- Preferred name
- 2-(Phenylsulfanyl)benzoyl chloride
- IUPAC
- 2-phenylsulfanylbenzoyl chloride
Names & synonyms
53732-61-92-(phenylsulfanyl)benzoyl chlorideNSC1565042-(phenylthio)-benzoylchloride2-(phenylthio)benzoyl chlorideSCHEMBL11476180DTXSID70303070JGJQEYFJHPOGJH-UHFFFAOYSA-NNSC-156504
Database identifiers
- CAS
53732-61-9- PubChem CID
- 291322
- DTXSID
DTXSID70303070
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
6 records
Compound notes
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